SCHEMBL1333002

SCHEMBL1333002

C#CC(O)(c1ccc(OC)cc1)c1ccc(N2CCOCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.43
KCNH2 Q12809 2/20 0.43
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.39
THRB P10828 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL163753 0.86 AKR1C3 (0.52) PRKDCAKR1C3KMT2AMAPTL3MBTL1
SCHEMBL27165409 0.86 AKR1C3 (0.52) PRKDCAKR1C3KMT2AMAPTL3MBTL1
SCHEMBL16011397 0.81 LMNA (0.41) PRKDCKCNH2AKR1C3KMT2AMEN1
SCHEMBL30859286 0.79 MEN1 (0.43) PRKDCKCNH2KMT2AMEN1MAPT
SCHEMBL27165401 0.79 MEN1 (0.43) PRKDCKCNH2KMT2AMEN1MAPT
SCHEMBL30859290 0.79 MEN1 (0.43) PRKDCKCNH2KMT2AMEN1MAPT
SCHEMBL28939782 0.79 MEN1 (0.45) AKR1C3KMT2AMEN1MAPTL3MBTL1
SCHEMBL26629621 0.77 AKR1C3 (0.52) PRKDCAKR1C3KMT2AMEN1MAPT
SCHEMBL7134286 0.76 MAPT (0.51) AKR1C3KMT2AMEN1MAPTL3MBTL1
SCHEMBL25954140 0.76 KMT2A (0.41) AKR1C3KMT2AMEN1MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed